CID 84767040

2-[3-(trifluoromethyl)-1,2-oxazol-4-yl]acetonitrile

Structural Information

Molecular Formula
C6H3F3N2O
SMILES
C1=C(C(=NO1)C(F)(F)F)CC#N
InChI
InChI=1S/C6H3F3N2O/c7-6(8,9)5-4(1-2-10)3-12-11-5/h3H,1H2
InChIKey
BUSRKITYMBSLPH-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)-1,2-oxazol-4-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.01974 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02702 124.2
[M+Na]+ 199.00896 135.5
[M-H]- 175.01246 123.1
[M+NH4]+ 194.05356 141.4
[M+K]+ 214.98290 134.6
[M+H-H2O]+ 159.01700 109.4
[M+HCOO]- 221.01794 140.5
[M+CH3COO]- 235.03359 189.9
[M+Na-2H]- 196.99441 130.7
[M]+ 176.01919 117.4
[M]- 176.02029 117.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.